A1813/0076658
TL;DR: A1813/0076658 (CAS 312290-38-3) is a chemical compound with molecular formula C17H14ClF3N2O4S and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
Also Known As: A1813/0076658, N-[2-(4-chlorophenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide, N-[2-(4-chlorophenoxy)ethyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide
| Molecular Formula | C17H14ClF3N2O4S |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 4.5543 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.0315 |
| Heavy Atoms | 28 |
| Complexity | 847.2864 |
Chemical Identifiers
| CAS Number | 312290-38-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
A1813/0076658 (CAS 312290-38-3), with molecular formula C17H14ClF3N2O4S and molecular weight 434.03 g/mol. IUPAC: N-[2-(4-chlorophenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.
Chemical Property Profile of A1813/0076658
Property Insights of A1813/0076658
The XLogP value of 4.5543 indicates that A1813/0076658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A1813/0076658. Following Lipinski's Rule of Five, A1813/0076658 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1813/0076658?
The CAS number of A1813/0076658 is 312290-38-3.
What is the molecular formula of A1813/0076658?
The molecular formula of A1813/0076658 is C17H14ClF3N2O4S.
What is the molecular weight of A1813/0076658?
The molecular weight of A1813/0076658 is 434.03 g/mol.
Where can I buy A1813/0076658?
You can request a quote for A1813/0076658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1813/0076658?
Yes, KEHONG BIO provides custom synthesis services for A1813/0076658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.